Geometry & MOs

Info

ID:	402362
PubChem CID:	135055678
Reduced:	ClN2O5C32H43 (1)
Stoich.:	AB2C5D32E43 (1)
Weight, g/mol:	550.340673
ΔH_f, kcal/mol:	-222.4
Dipole, Da:	4.63
IP(EA), eV:	-9.8(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2S,4Z)-2-(dodecanoylamino)-4-(4-methylphenyl)-4-phenylmethoxycarbonyliminobutanoate

Drug info:

PubChemData

Smile

CCCCCCCCCCCC(=O)N[C@@H](C/C(=N/C(=O)OCC1=CC=CC=C1)/C2=CC=C(C=C2)Cl)C(=O)OCC

DOS

IR

Vibrations